Description

1-Methylxanthine-13C,D3 is a high-purity, stable isotope-labeled derivative of 1-methylxanthine, a key metabolite in caffeine and theophylline catabolism. This compound is essential for advanced analytical research requiring precise quantification and metabolic pathway tracing. It is primarily used by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in pharmacokinetic studies, drug metabolism research, and the development of diagnostic assays.

Application

• Internal Standard for LC-MS/MS: Serves as a critical quantitative reference standard in liquid chromatography-tandem mass spectrometry for analyzing methylxanthine metabolites in biological matrices.
• Drug Metabolism and Pharmacokinetics (DMPK): Used in tracer studies to elucidate the metabolic fate of caffeine, theophylline, and related xanthine-based pharmaceuticals.
• Biomarker Research: Enables accurate measurement of 1-methylxanthine levels in clinical samples for studies related to liver function, caffeine consumption, and certain disease states.
• Stable Isotope Labeling: Acts as a building block or reference compound in the synthesis of more complex isotopically labeled molecules for research.
• Quality Control in Diagnostic Kits: Employed in the development and validation of in-vitro diagnostic (IVD) kits targeting purine metabolism pathways.

Basic Information

Product Name	1-Methylxanthine-13C,D3
CAS No.	1202865-49-3
Molecular Formula	C513CH4D3N4O2
Molecular Weight	~184.15 g/mol
Synonyms	1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-13C,D3; 1-Methylxanthine (methyl-13C, 3,7,9-D3); 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione-13C,D3; 1,3,7-Trimethylxanthine-13C,D3 (metabolite); Caffeine Metabolite Standard-13C,D3; Isotopically Labeled 1-MX; [13C,D3]-1-Methylxanthine
EINECS	Contact for details

Quality Control

Our 1-Methylxanthine-13C,D3 is manufactured under strict quality systems to ensure the highest isotopic and chemical purity for research applications. Each batch is accompanied by a comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (e.g., 13C ≥99%, D ≥98%), chemical purity by HPLC, and identity confirmation. We support compliance with relevant GLP and ISO 17025 standards for reference materials.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as indicated on the label. This product is hygroscopic (moisture-sensitive) and should be handled in a dry environment. For long-term storage, consider desiccated conditions.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥98.0%
Isotopic Enrichment (13C)	≥99 atom %
Isotopic Enrichment (D)	≥98 atom % (D3)
Chemical Purity (HPLC)	≥98.0%
Water Content (KF)	≤1.0%
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.